Geometry & MOs

Info

ID:	228558
PubChem CID:	87565293
Reduced:	ClN3C27H58 (1)
Stoich.:	AB3C27D58 (1)
Weight, g/mol:	321.017078
ΔH_f, kcal/mol:	-62.14
Dipole, Da:	18.12
IP(EA), eV:	-7.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6,6-dicarbonochloridoyl-2-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCN=C(N(CCCCCC)CCCCCC)[N+](C)(C)CCCCCC.[Cl-]

DOS

IR

Vibrations